7-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(phenylsulfanylmethyl)quinolin-8-ol

Systemtic Name: 7-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(phenylsulfanylmethyl)quinolin-8-ol Openeye Name: 7-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(phenylsulfanylmethyl)quinolin-8-ol CAS Name: 7-[(4-methyl-1-piperazin-4-iumyl)methyl]-5-[(phenylthio)methyl]-8-quinolinol IUPAC Name: 7-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(phenylsulfanylmethyl)quinolin-8-ol Traditional Name: 7-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-[(phenylthio)methyl]quinolin-8-ol Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C3=C(C=CC=N3)C(=C2)CSC4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C3=C(C=CC=N3)C(=C2)CSC4=CC=CC=C4)O

InChI

InChI=1S/C22H25N3OS/c1-24-10-12-25(13-11-24)15-17-14-18(16-27-19-6-3-2-4-7-19)20-8-5-9-23-21(20)22(17)26/h2-9,14,26H,10-13,15-16H2,1H3/p+1